CID 68572493

1206594-12-8

Structural Information

Molecular Formula
C18H28BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(C)N3CCOCC3
InChI
InChI=1S/C18H28BNO3/c1-14(20-10-12-21-13-11-20)15-6-8-16(9-7-15)19-22-17(2,3)18(4,5)23-19/h6-9,14H,10-13H2,1-5H3
InChIKey
RIQMSWOLENZXFK-UHFFFAOYSA-N
Compound name
4-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

317.21622 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.22350 174.6
[M+Na]+ 340.20544 180.1
[M-H]- 316.20894 184.3
[M+NH4]+ 335.25004 189.2
[M+K]+ 356.17938 181.2
[M+H-H2O]+ 300.21348 167.6
[M+HCOO]- 362.21442 187.9
[M+CH3COO]- 376.23007 206.8
[M+Na-2H]- 338.19089 176.2
[M]+ 317.21567 174.4
[M]- 317.21677 174.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe